SCHEMBL9218265

SCHEMBL9218265

CCc1cc(N)c(Cl)c(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
DHFR P00374 2/20 0.34
HEXA P06865 2/20 0.34
HEXB P07686 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26759620 0.82 KMT2A (0.39) NOS3NOS2DHFRHEXAHEXB
SCHEMBL9218257 0.76 NOS3 (0.38) NOS3NOS2AGTR1AGTR2KDM5B
SCHEMBL7284590 0.76 NOS3 (0.42) NOS3NOS2AGTR1AGTR2HEXA
SCHEMBL9495660 0.76 NOS3 (0.42) NOS3NOS2AGTR1AGTR2HEXA
SCHEMBL3177158 0.73 NOS3 (0.40) NOS3NOS2HEXAHEXBCYP1A2
SCHEMBL1424178 0.73 TDP1 (0.43) NOS3NOS2KMT2AMEN1ALDH1A1
SCHEMBL28906495 0.72 NOS3 (0.42) NOS3NOS2KMT2ATP53CYP1A2
SCHEMBL3179969 0.72 NOS3 (0.39) NOS3NOS2HRH3GABRPGABRD
SCHEMBL7286429 0.71 NOS3 (0.38) NOS3NOS2AGTR1AGTR2KMT2A
SCHEMBL7274895 0.71 GABRP (0.44) NOS3NOS2DHFRKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US claimed
EP-0539066-A1 Heterocyclic compounds useful as angiotensin II antagonists ZENECA LIMITED (GB) 1993-04-28 EP claimed
EP-0520724-B1 Angiotensin II antagonists ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5387592-A Angiotensin converting enzyme inhibitors, calcium channel blockers, diuretics and adrenergic blocking agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-02-07 US disclosed
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
EP-0520723-B1 Angiotensin II antagonists ICI PLC (GB) 1994-06-01 EP disclosed
US-5281613-A Heterocyclic ring substituted benzofuran, benzothiofuran, or indole derivative IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US disclosed
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0539066-A1 Heterocyclic compounds useful as angiotensin II antagonists ZENECA LIMITED (GB) 1993-04-28 EP disclosed
EP-0520723-A1 Angiotensin II antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-30 EP disclosed
EP-0520724-A1 Angiotensin II antagonists ZENECA LIMITED (GB) 1992-12-30 EP disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed